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Information card for entry 1558924
Preview
| Coordinates | 1558924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3,4,7,8-Tetramethyl-1,2,5,6-tetrahydrodicyclobuta[a,e]cyclooctene |
|---|---|
| Formula | C16 H20 |
| Calculated formula | C16 |
| SMILES | C12=C(C(=C(C3=C(C(=C1C)C)CC3)C)C)CC2 |
| Title of publication | The Unexpected Formation of 3,4,7,8-Tetramethyl-1,2,5,6-tetrahydrodicyclobuta[a,e]cyclooctene from a Zirconacyclopentadiene |
| Authors of publication | Spence, Rupert E. v. H.; Buchwald, Stephen L.; Richardson, John F. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1993 |
| Journal volume | 47 |
| Pages of publication | 326 - 329 |
| a | 12.588 ± 0.002 Å |
| b | 7.843 ± 0.001 Å |
| c | 13.804 ± 0.002 Å |
| α | 90° |
| β | 108.98 ± 0.02° |
| γ | 90° |
| Cell volume | 1288.7 ± 0.4 Å3 |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255711 (current) | 2020-08-28 | cif/ Adding structures of 1558924 via cif-deposit CGI script. |
1558924.cif |
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